CID 10245201

Edan

Structural Information

Molecular Formula

C₁₅H₂₁NO₄

SMILES

CCN(CC)CCOC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C15H21NO4/c1-4-16(5-2)10-11-19-15(18)13-8-6-7-9-14(13)20-12(3)17/h6-9H,4-5,10-11H2,1-3H3

InChIKey

GHIVDTCFLFLOBV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-acetyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 970
Patents: 279.14706 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.15434	165.9
[M+Na]+	302.13628	170.9
[M-H]-	278.13978	170.3
[M+NH4]+	297.18088	182.1
[M+K]+	318.11022	170.9
[M+H-H2O]+	262.14432	158.3
[M+HCOO]-	324.14526	189.3
[M+CH3COO]-	338.16091	205.7
[M+Na-2H]-	300.12173	167.3
[M]+	279.14651	171.8
[M]-	279.14761	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe